Figure 2

DART-TOF mass spectral heat maps, principal component analysis (PCA) and hierarchical clustering analysis results derived from the DART-TOF mass spectra of biodiesel feedstocks solubilized in hexane.
Panel a: DART-TOF mass spectra rendered as heat maps of the indicated feedstocks; Panel b: PCA was based on sixteen feature masses; 3 principal components accounted for 73.4% of the variance and the LOOCV was 98.3%. Panel c: hierarchical clustering analysis dendrogram created from mass spectral heat map data, showing species-level classifications of the analyzed feedstocks.